1-[4-[[4-(1-propan-2-ylpyrazol-4-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(1-propan-2-ylpyrazol-4-yl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(1-isopropylpyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[oxo-(1-propan-2-yl-4-pyrazolyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(1-propan-2-ylpyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(1-isopropylpyrazole-4-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N2CCOC3=C(C2)C=C(C=C3)CN4CCN(CC4)C(=O)C

InChI

InChI=1S/C23H31N5O3/c1-17(2)28-16-21(13-24-28)23(30)27-10-11-31-22-5-4-19(12-20(22)15-27)14-25-6-8-26(9-7-25)18(3)29/h4-5,12-13,16-17H,6-11,14-15H2,1-3H3